BDBM18862 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid::CHEMBL41632::TRIAC::Tiratricol::Triiodothyroacetic acid, 3::US10322118, Entry Tiratricol

SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1

InChI Key InChIKey=UOWZUVNAGUAEQC-UHFFFAOYSA-N

Data  1 KI  13 IC50  2 Kd  2 EC50

PDB links: 13 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 18862   

TargetSolute carrier organic anion transporter family member 1C1(Mus musculus)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataKi:  2.15E+3nMAssay Description:TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibition of human NTCP mediated TCA uptake in U2OS expresseing HA-tagged NTCP cells preincubated for 10 mins followed by substrate addition and mea...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThyroid hormone receptor beta(RAT)
CIBA Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50: >5.00E+3nMAssay Description:In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptorMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  3.48E+4nMAssay Description:Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(RAT)
CIBA Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  0.150nMAssay Description:In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptorMore data for this Ligand-Target Pair
TargetProliferating cell nuclear antigen(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThyroid hormone receptor beta(Homo sapiens (Human))
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  0.0479nMAssay Description:Inhibition of human thyroid hormone receptor beta 1More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  0.0407nMAssay Description:Inhibition of thyroid hormone receptor betaMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Universidade de S£o Paulo

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  0.141nMAssay Description:Inhibition of thyroid hormone receptor alphaMore data for this Ligand-Target Pair
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
Dartmouth College

US Patent
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  4.70E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataEC50:  370nMAssay Description:Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataKd:  200nMAssay Description:Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataEC50:  1.20E+4nMAssay Description:Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataKd:  1.32E+3nMAssay Description:Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of preS1-peptide binding to human HA-tagged NTCP in U2OS expresseing NTCP in incubated for 24 hrs using Myrcludex B as substrate by compet...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Universidade de S£o Paulo

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  0.140nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
University of Insubria

Curated by ChEMBL
LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Affinity DataIC50:  0.0480nMpH: 7.0 T: 2°CAssay Description:IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.More data for this Ligand-Target Pair